2-azanyl-4-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[[1-(hydroxymethyl)-3-phenethylcyclobutyl]methylamino]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[[1-(hydroxymethyl)-3-phenethylcyclobutyl]methylamino]pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[(1-methylol-3-phenethyl-cyclobutyl)methylamino]pyrimidine-5-carbonitrile Formula: C19H23N5O MolecularWeight: 337.41882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1(CNC2=NC(=NC=C2C#N)N)CO)CCC3=CC=CC=C3

Isomeric SMILES

C1C(CC1(CNC2=NC(=NC=C2C#N)N)CO)CCC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O/c20-10-16-11-22-18(21)24-17(16)23-12-19(13-25)8-15(9-19)7-6-14-4-2-1-3-5-14/h1-5,11,15,25H,6-9,12-13H2,(H3,21,22,23,24)